Theoretica chimica acta

, Volume 45, Issue 3, pp 235–237 | Cite as

Correlation of the position of the bond functions in H-X with electronegativity

  • T. D. Metzgar
  • T. Vladimiroff
Short Communication


S type Gaussian bond functions are optimized for HF, H2O, NH3, and CH4. The optimization is carried out with respect to the exponent and position in the H-X bond. The position is found to correlate well with the electronegativity of Pauling and Allred-Rochow.

Key words

Bond functions, optimized ∼, for HF, H2O, NH3, CH4 


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Copyright information

© Springer-Verlag 1977

Authors and Affiliations

  • T. D. Metzgar
    • 1
  • T. Vladimiroff
    • 1
  1. 1.Propellants DivisionFeltman Research Laboratory, Picatinny ArsenalDoverUSA

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